[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate

C19H16Cl2N2O2 — CID 1061693

IUPAC[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate
SMILESCC(C)c1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N2O2/c1-12(2)17-11-18(25-19(24)13-6-4-3-5-7-13)23(22-17)14-8-9-15(20)16(21)10-14/h3-12H,1-2H3
InChIKeyYSQJWSZLWRQRFJ-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.52
Rot. Bonds4

About [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate

[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate (PubChem CID 1061693) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate
PubChem CID1061693
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate
SMILESCC(C)c1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N2O2/c1-12(2)17-11-18(25-19(24)13-6-4-3-5-7-13)23(22-17)14-8-9-15(20)16(21)10-14/h3-12H,1-2H3
InChIKeyYSQJWSZLWRQRFJ-UHFFFAOYSA-N
XLogP5.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
CID 1061709
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-fluorobenzoate
CID 42727847
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] naphthalene-1-carboxylate
CID 7296154
[1-(3-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] 2,2-dimethylpropanoate
CID 42727215
[1-(2-methylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-fluorobenzoate
CID 42727351
[1-(2-chlorophenyl)-3-propan-2-ylpyrazol-5-yl] furan-2-carboxylate
CID 42727911
[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-pentylbenzoate
CID 4538299
[1-(3,4-dichlorophenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42728247
[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl] 3-chloropropanoate
CID 42727401
[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-methoxybenzenesulfonate
CID 42727183
[1-(4-nitrophenyl)-3-propan-2-ylpyrazol-5-yl] 2-methylbenzoate
CID 42726828

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate?
The IUPAC name of [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate (CID 1061693) is [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate?
The canonical SMILES for [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate is CC(C)c1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate?
The InChIKey is YSQJWSZLWRQRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-12(2)17-11-18(25-19(24)13-6-4-3-5-7-13)23(22-17)14-8-9-15(20)16(21)10-14/h3-12H,1-2H3.
What are the key properties of [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate?
[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate has a molecular weight of 375.26 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate is sourced from PubChem (CID 1061693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).